(Q105379694)

English

(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,14S,15S,16S,17S,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16,17,18,19-hexol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16,17,18,19-hexol

1 reference

based on heuristic

inferred from SMILES

mass

496.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₈

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canonical SMILES

OC1C(O)C(O)C2(C)C3CCC4(C)C(CC5OC6(OCC(C)CC6)C(C)C54)C3CC(O)C2(O)C1O

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isomeric SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](O)[C@]5(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2

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found in taxon

Reineckea carnea

1 reference

stated in

Steroidal constituents from the underground parts of Reineckea carnea and their inhibitory activity on cAMP phosphodiesterase

Identifiers

InChI

InChI=1S/C27H44O8/c1-12-5-8-26(34-11-12)13(2)19-17(35-26)10-16-14-9-18(28)27(33)23(32)21(30)20(29)22(31)25(27,4)15(14)6-7-24(16,19)3/h12-23,28-33H,5-11H2,1-4H3/t12-,13+,14-,15+,16+,17+,18-,19+,20-,21+,22-,23+,24+,25+,26-,27+/m1/s1

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InChIKey

ZMRIMMXNFYKMKN-AXODJHPDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105379694)

(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,14S,15S,16S,17S,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16,17,18,19-hexol

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Identifiers

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